[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxidanylidene-ethyl] 4-nitrobenzoate

Systemtic Name: [2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxidanylidene-ethyl] 4-nitrobenzoate Openeye Name: [2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxo-ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-keto-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl] ester Formula: C12H10N4O5S MolecularWeight: 322.2966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)NC(=O)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=NN=C(S1)NC(=O)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H10N4O5S/c1-7-14-15-12(22-7)13-10(17)6-21-11(18)8-2-4-9(5-3-8)16(19)20/h2-5H,6H2,1H3,(H,13,15,17)